HCID66849536

[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C16H16F3N5O351.33 g/mol

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IDENTITY

结构与身份

标准SMILES: Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIKey: LHEGONYQWRZUFV-UHFFFAOYSA-N
分子式: C16H16F3N5O
平均分子量: 351.33 g/mol
单同位素质量: 351.13069464

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 75.4 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 2
重原子: 25
形式电荷: 0
复杂度: 467

ALIASES

名称与别名

共 13 条

SCHEMBL937224LHEGONYQWRZUFV-UHFFFAOYSA-N[4-(6-aminopyridazin-3-yl)-piperazin-1-yl]-(2-trifluoromethylphenyl)methanone838828-32-3DB-345056[4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone[4-(6-amino pyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone[4-(6-aminopyridazin-3-yl)-piperazin-1-yl]-(2-trifluoromethyl-phenyl)methanone[4-(6-aminopyridazin-3-yl)piperazin-1-yl] (2-trifluoromethylphenyl)methanone[4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifiuoromethyl-phenyl)methanone[4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethyl-phenyl)methanone[4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)-methanone[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone

REACTIONS

参与反应

210 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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